MetFamily

Web application designed for the identification of regulated metabolite families. This is possible on the basis of metabolite profiles for a set of MS¹ features as well as one MS/MS spectrum for each MS¹ feature. Group-discriminating MS¹ features are identified using a PCA of metabolite profiles and metabolite families are identified using a HCA of MS/MS spectra. Regulated metabolite families are identified by considering group-discriminating MS¹ features from corporate metabolite families.